CID 55453

Glycine, n-(3-(1,1'-biphenyl)-4-yl-3-oxopropyl)-n-methyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C20H23NO3
SMILES
CCOC(=O)CN(C)CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H23NO3/c1-3-24-20(23)15-21(2)14-13-19(22)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3
InChIKey
ATSXRZDVUGWGQG-UHFFFAOYSA-N
Compound name
ethyl 2-[methyl-[3-oxo-3-(4-phenylphenyl)propyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 178.9
[M+Na]+ 348.15702 190.8
[M+NH4]+ 343.20162 185.7
[M+K]+ 364.13096 183.8
[M-H]- 324.16052 183.0
[M+Na-2H]- 346.14247 186.5
[M]+ 325.16725 181.6
[M]- 325.16835 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.